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CHEBI:18404 - 3-methylcatechol

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ChEBI Name 3-methylcatechol
ChEBI ID CHEBI:18404
Definition A methylcatechol carrying a methyl substituent at position 3. It is a xenobiotic metabolite produced by some bacteria capable of degrading nitroaromatic compounds present in pesticide-contaminated soil samples.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:43829, CHEBI:887, CHEBI:11857, CHEBI:20127
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Formula C7H8O2
Net Charge 0
Average Mass 124.13722
Monoisotopic Mass 124.052
InChI InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3
InChIKey PGSWEKYNAOWQDF-UHFFFAOYSA-N
SMILES Cc1cccc(O)c1O
Roles Classification
Biological Role(s): bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-methylcatechol (CHEBI:18404) has role bacterial xenobiotic metabolite (CHEBI:76976)
3-methylcatechol (CHEBI:18404) is a methylcatechol (CHEBI:25289)
IUPAC Name
3-methylbenzene-1,2-diol
Synonyms Sources
2,3-dihydroxytoluene ChEBI
2,3-Dihydroxytoluene KEGG COMPOUND
3-Methylcatechol KEGG COMPOUND
3-METHYLCATECHOL PDBeChem
3-methylcatechol UniProt
Database Links Databases
3-Methylcatechol Wikipedia
c0125 UM-BBD
C02923 KEGG COMPOUND
CPD-111 MetaCyc
DB03454 DrugBank
MBD PDBeChem
View more database links
Registry Numbers Types Sources
488-17-5 CAS Registry Number KEGG COMPOUND
488-17-5 CAS Registry Number ChemIDplus
774602 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
20582618 PubMed citation Europe PMC
22854893 PubMed citation Europe PMC
23250222 PubMed citation Europe PMC
Last Modified
04 August 2015